Radial Distribution Functions - Catalysis

Relevant Publications

Enhancing Polymer Blend Compatibility with Linear and Complex Star Copolymer Architectures: A Monte Carlo Simulation Study with the Bond Fluctuation Model.

Issue Release: 2024

Graph Theoretical Description of Phase Transitions in Complex Multiscale Phases with Supramolecular Assemblies.

Issue Release: 2024

On the\"Staple\" Effect in the d-Glucose Acetylation by Choline-Chloride Ethylene Glycol and Choline-Chloride Urea Deep Eutectic Solvents.

Issue Release: 2024

Atomistic molecular dynamics simulation and COSMO-SAC approach for enhanced 1,3-propanediol extraction with imidazolium-based ionic liquids.

Issue Release: 2024

Development of a ReaxFF reactive force field for ternary phosphate-based bioactive glasses.

Issue Release: 2024

Unknown crystal-like phases formed in an imidazolium ionic liquid: A metadynamics simulation study.

Issue Release: 2024

Liquid Structure and Hydrogen Bonding in Aqueous Hydroxylammonium Nitrate.

Issue Release: 2024

Accuracy of TIP4P/2005 and SPC/Fw Water Models.

Issue Release: 2024

Structural Coarse-Graining via Multiobjective Optimization with Differentiable Simulation.

Issue Release: 2024

Multiscale Computational Framework for the Liquid-Liquid Phase Separation of Intrinsically Disordered Proteins.

Issue Release: 2024

Complex-Valued K-Means Clustering of Interpolative Separable Density Fitting Algorithm for Large-Scale Hybrid Functional Enabled Molecular Dynamics Simulations within Plane Waves.

Issue Release: 2024

Insights into Lithium Sulfide Glass Electrolyte Structures and Ionic Conductivity via Machine Learning Force Field Simulations.

Issue Release: 2024

Molecular understanding of the self-assembly of an N-isopropylacrylamide delivery system for the loading and temperature-dependent release of curcumin.

Issue Release: 2024

Molecular dynamics study on the physical compatibility of SEBS/plasticizer blend systems.

Issue Release: 2024

Atomistic understanding on desalination performance of pristine graphenylene nanosheet membrane at high applied pressures.

Issue Release: 2024

Exploiting Metal-Organic Frameworks for Vinylidene Fluoride Adsorption: From Force Field Development, Computational Screening to Machine Learning.

Issue Release: 2024

Alkali hydroxide (LiOH, NaOH, KOH) in water: Structural and vibrational properties, including neutron scattering results.

Issue Release: 2024

Adaptive methods of generating complex light arrays.

Issue Release: 2024

Molecular Insights into the Influence of Ions on the Water Structure. I. Alkali Metal Ions in Solution.

Issue Release: 2024

Characterization of iron(III) in aqueous and alkaline environments with ab initio and ReaxFF potentials.

Issue Release: 2024

Why Are Shortened Reaction Times Important?

What is a Circular Economy?

Why is High Efficiency Milling Important in Catalysis?

Can Biological Treatment Be Combined with Other Methods?

How to Implement Parallel Computing in Catalysis Research?

What Techniques are Used for Characterization?

What Is the Future of Training in Catalysis?

How Can You Monitor Storage Conditions?

What Unique Insights Does Electron Paramagnetic Resonance (EPR) Offer?

Why Are Experimental Validations Necessary?

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